Crystallography Open Database

Information card for entry 4064914

Preview

Coordinates	4064914.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31.5 H41 Bi Mo N2 O Si2
Calculated formula	C31.5 H41 Bi Mo N2 O Si2
Title of publication	C‒H Bond Activation in a Molybdenumoxo-Bismuth Compound
Authors of publication	Knispel, Christina; Limberg, Christian
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	14
Pages of publication	3701
a	9.03 ± 0.0007 Å
b	10.663 ± 0.0008 Å
c	16.9402 ± 0.0013 Å
α	105.113 ± 0.006°
β	95.32 ± 0.006°
γ	92.209 ± 0.006°
Cell volume	1564.6 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.037
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0812
Weighted residual factors for all reflections included in the refinement	0.0827
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4064914.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064914.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064914.cif
33092	2012-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4064914 via cif-deposit CGI script.	4064914.cif