Crystallography Open Database

Information card for entry 4333273

Preview

Coordinates	4333273.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H192 Ag4 B44 N4 P4 Sn4
Calculated formula	C60 H80 Ag4 B44 N4 P4 Sn4
SMILES	C[P](C)(C)[Ag]12345[Ag]6789([P](C)(C)C)[Sn]%10%11%12%13%14([BH]%15%16%17[BH]%18%19%10[BH]%10%20%12[BH]%12%21%13[BH]%13%11%15[BH]%11%15%17[BH]%17%16%19[BH]%16%18%10[BH]%10%20%12[BH]%21%13%11[BH]%15%17%16%10)[Ag]%1026([Sn]26%11%121([BH]1%13%15[BH]%16%172[BH]2%18%11[BH]%11%19%12[BH]%1261[BH]16%13[BH]%13%15%16[BH]%15%172[BH]2%18%19[BH]%11%121[BH]6%13%152)[Ag]37%14%10([P](C)(C)C)[Sn]123659[BH]579[BH]%10%111[BH]1%123[BH]3%136[BH]625[BH]259[BH]97%11[BH]7%101[BH]1%123[BH]%1362[BH]5971)([P](C)(C)C)[Sn]123548[BH]467[BH]891[BH]1%103[BH]3%115[BH]524[BH]246[BH]678[BH]791[BH]1%10%11[BH]352[BH]4671.C(CCC)[NH+](CCCC)CCCC.[NH+](CCCC)(CCCC)CCCC.C(CCC)[NH+](CCCC)CCCC.[NH+](CCCC)(CCCC)CCCC
Title of publication	Silver aggregation caused by Stanna-closo-dodecaborate coordination: syntheses, solid-state structures and theoretical studies.
Authors of publication	Hagen, Siegbert; Schubert, Hartmut; Maichle-Mössmer, Cäcilia; Pantenburg, Ingo; Weigend, Florian; Wesemann, Lars
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	16
Pages of publication	6775 - 6784
a	23.678 ± 0.002 Å
b	40.503 ± 0.003 Å
c	16.6818 ± 0.0017 Å
α	90°
β	135.054 ± 0.006°
γ	90°
Cell volume	11302 ± 2 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.12
Residual factor for significantly intense reflections	0.0614
Weighted residual factors for significantly intense reflections	0.1303
Weighted residual factors for all reflections included in the refinement	0.1463
Goodness-of-fit parameter for all reflections included in the refinement	0.898
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179435 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/32.	4333273.cif
130086	2015-01-23	cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ \| xargs -i sh -c 'cif_fix_values {} \ \| cif_filter --add-cif-header {} \ \| sponge {}'	4333273.cif
116746	2014-06-13	cif/ Updating files of 4333271, 4333272, 4333273, 4333274 Original log message: Adding full bibliography for 4333271--4333274.cif.	4333273.cif
98894	2014-01-30	cif/ Adding structures of 4333273 via cif-deposit CGI script.	4333273.cif