Crystallography Open Database

Information card for entry 4082961

Preview

Coordinates	4082961.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H85 Co N3 O P3 S Zr
Calculated formula	C59 H85 Co N3 O P3 S Zr
Title of publication	Interaction and Activation of Carbon‒Heteroatom π Bonds with a Zr/Co Heterobimetallic Complex
Authors of publication	Marquard, Seth L.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	8
Pages of publication	2071
a	23.772 ± 0.0008 Å
b	21.7328 ± 0.0007 Å
c	25.8611 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	13360.7 ± 0.7 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	8
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0649
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for all reflections	0.084
Weighted residual factors for significantly intense reflections	0.073
Weighted residual factors for all reflections included in the refinement	0.084
Goodness-of-fit parameter for all reflections included in the refinement	1
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.	4082961.cif
112790	2014-05-04	cif/ Updating files of 4082958, 4082959, 4082960, 4082961, 4082962, 4082963 Original log message: Adding full bibliography for 4082958--4082963.cif.	4082961.cif
109223	2014-04-10	cif/ Adding structures of 4082958, 4082959, 4082960, 4082961, 4082962, 4082963 via cif-deposit CGI script.	4082961.cif