Crystallography Open Database

Information card for entry 4082959

Preview

Coordinates	4082959.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H97 Co N6 O P3 Zr
Calculated formula	C67 H97 Co N6 O P3 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	11.0345 ± 0.0004 Å
b	14.9619 ± 0.0005 Å
c	38.6376 ± 0.0013 Å
α	90°
β	91.836 ± 0.002°
γ	90°
Cell volume	6375.7 ± 0.4 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.07
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for all reflections	0.1008
Weighted residual factors for significantly intense reflections	0.0952
Weighted residual factors for all reflections included in the refinement	0.1008
Goodness-of-fit parameter for all reflections included in the refinement	0.9962
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.	4082959.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.	4082959.cif
109223	2014-04-10	cif/ Adding structures of 4082958, 4082959, 4082960, 4082961, 4082962, 4082963 via cif-deposit CGI script.	4082959.cif