Crystallography Open Database

Information card for entry 4075189

Preview

Coordinates	4075189.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H64 Mo2 O4 P2 Pd2
Calculated formula	C38 H64 Mo2 O4 P2 Pd2
SMILES	[C]12(=O)[Mo]3456789%10(C(=O)[Pd]%1114([P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[Mo]14%12%13%14%1529([C]5(=O)[Pd]%10%11%15([P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)C1=O)[cH]1[cH]4[cH]%12[cH]%13[cH]%141)[cH]1[cH]3[cH]8[cH]7[cH]61
Title of publication	Unsaturated Cyclopentadienyl-Molybdenum and Tungsten Carbonyl Cluster Complexes Containing Pd- and Pt(PBut3) Groups
Authors of publication	Adams, Richard D.; Hollandsworth, Carl B.; Smith, Jack L.
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	10
Pages of publication	2673
a	24.2769 ± 0.0011 Å
b	10.9943 ± 0.0005 Å
c	17.3532 ± 0.0008 Å
α	90°
β	116.902 ± 0.001°
γ	90°
Cell volume	4130.5 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0267
Residual factor for significantly intense reflections	0.0234
Weighted residual factors for significantly intense reflections	0.0601
Weighted residual factors for all reflections included in the refinement	0.0627
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
178640 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/51.	4075189.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075189.cif
49110	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075188, 4075189, 4075190, 4075191 via cif-deposit CGI script.	4075189.cif