Crystallography Open Database

Information card for entry 4076844

Preview

Coordinates	4076844.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H49 N2 O20 Sb W5
Calculated formula	C33 H49 N2 O20 Sb W4.963
Title of publication	Hybrid Metal Carbonyl−Oxide Clusters: Synthesis and Structure of [Et4N]2[(OC)5WSbW3(CO)9(μ3-OMe)2(μ3-O)WO2(OR)] (R = Me, H)
Authors of publication	Xu, Li; Whitmire, Kenton H.
Journal of publication	Organometallics
Year of publication	2002
Journal volume	21
Journal issue	13
Pages of publication	2581
a	38.606 ± 0.008 Å
b	11.595 ± 0.002 Å
c	24.166 ± 0.005 Å
α	90°
β	112.11 ± 0.03°
γ	90°
Cell volume	10022 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.039
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.0737
Weighted residual factors for all reflections included in the refinement	0.077
Goodness-of-fit parameter for all reflections included in the refinement	0.968
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
178657 (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 4/07/68.	4076844.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4076844.cif
54086	2012-04-20	cif/ Adding structures of 4076844, 4076845 via cif-deposit CGI script.	4076844.cif