Crystallography Open Database

Information card for entry 4082958

Preview

Coordinates	4082958.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H93 Co I0.04 N4.91 O2 P3 Zr
Calculated formula	C62 H93 Co I0.0438 N4.9124 O2 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	10.8295 ± 0.0004 Å
b	15.0948 ± 0.0006 Å
c	38.8719 ± 0.0015 Å
α	90°
β	90.519 ± 0.002°
γ	90°
Cell volume	6354.1 ± 0.4 Å³
Cell temperature	135 K
Ambient diffraction temperature	135 K
Number of distinct elements	8
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	0.0559
Residual factor for significantly intense reflections	0.036
Weighted residual factors for all reflections	0.0798
Weighted residual factors for significantly intense reflections	0.0736
Weighted residual factors for all reflections included in the refinement	0.0798
Goodness-of-fit parameter for all reflections included in the refinement	0.9664
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
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.	4082958.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.	4082958.cif
109223	2014-04-10	cif/ Adding structures of 4082958, 4082959, 4082960, 4082961, 4082962, 4082963 via cif-deposit CGI script.	4082958.cif