Crystallography Open Database

Information card for entry 4071930

4071929 << 4071930 >> 4071931

Preview

Coordinates	4071930.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H39 B Mo N8 O3
Calculated formula	C24 H39 B Mo N8 O3
Title of publication	Reactions of [Mo(CBr)(CO)2{HB(pzMe2)3}] (pz = pyrazol-1-yl) with Amines: Synthesis of Amino, Pyridinium, and Thiolato Carbyne Complexes
Authors of publication	Cordiner, Richard L.; Hill, Anthony F.; Wagler, Jörg
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	17
Pages of publication	4532
a	9.952 ± 0.0002 Å
b	16.9385 ± 0.0002 Å
c	15.9761 ± 0.0002 Å
α	90°
β	92.829 ± 0.001°
γ	90°
Cell volume	2689.84 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.04
Residual factor for significantly intense reflections	0.0294
Weighted residual factors for significantly intense reflections	0.0699
Weighted residual factors for all reflections included in the refinement	0.0736
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4071930.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4071930.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071930.cif
44130	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071930 via cif-deposit CGI script.	4071930.cif