Crystallography Open Database

Information card for entry 7019296

7019295 << 7019296 >> 7019297

Preview

Coordinates	7019296.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H52 Cr N2 O
Calculated formula	C40 H52 Cr N2 O
SMILES	CC(C)c1cccc(C(C)C)c1[N]1=CC=[N](c2c(C(C)C)cccc2C(C)C)[Cr]23451([cH]1[cH]2[cH]3[cH]4[cH]51)OC(C)(C)c1ccccc1
Title of publication	Cyclopentadienyl chromium diimine and pyridine-imine complexes: ligand-based radicals and metal-based redox chemistry.
Authors of publication	Zhou, Wen; Chiang, Linus; Patrick, Brian O.; Storr, Tim; Smith, Kevin M.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	26
Pages of publication	7920 - 7930
a	12.1823 ± 0.0007 Å
b	12.3521 ± 0.0007 Å
c	13.2389 ± 0.0008 Å
α	111.688 ± 0.003°
β	106.727 ± 0.003°
γ	91.867 ± 0.003°
Cell volume	1751.06 ± 0.19 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0427
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0937
Weighted residual factors for all reflections included in the refinement	0.0989
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
179896 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/92.	7019296.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019296.cif
62834	2012-07-09	cif/ Adding structures of 7019295, 7019296, 7019297, 7019298, 7019299, 7019300, 7019301, 7019302, 7019303 via cif-deposit CGI script.	7019296.cif