Crystallography Open Database

Information card for entry 8102465

Preview

Coordinates	8102465.cif

Structure parameters

Formula	C36 H32.5 N5 O12.25 S3 Sm
Calculated formula	C36 H32.5 N5 O12.25 S3 Sm
Title of publication	Crystal structure of (1,10-phenanthroline)-tri(benzenesulfonylglycinato)samarium(III) — water (1:0.25), Sm(C12H8N2)(C8H8NO4S)3.·.0.25H2O
Authors of publication	Gui-Lin Wen; Xia Bao
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2009
Journal volume	224
Journal issue	3
Pages of publication	475
a	28.146 ± 0.0018 Å
b	14.9274 ± 0.0011 Å
c	19.5665 ± 0.0011 Å
α	90°
β	105.331 ± 0.001°
γ	90°
Cell volume	7928.3 ± 0.9 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
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	0.0375
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.087
Weighted residual factors for all reflections included in the refinement	0.0903
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8102465.cif
176466	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102465.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102465.cif
13204	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102465 via cif-deposit CGI script.	8102465.cif