Crystallography Open Database

Information card for entry 7703857

Preview

Coordinates	7703857.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H87 Co N4 P
Calculated formula	C67 H87 Co N4 P
SMILES	c12[Co](c3c(cccc3/C=N/c3c(cccc3C(C)C)C(C)C)/C=N/c3c(cccc3C(C)C)C(C)C)([N](=Cc1cccc2/C=N/c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[P](C)(C)C
Title of publication	Bis(imino)aryl NCN pincer cobalt complexes: synthesis and disproportionation.
Authors of publication	Huang, Li-Cheng; Zhang, Jing-Shun; Jia, Teng; Mu, Ying; Gao, Wei
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	16
Pages of publication	5219 - 5227
a	11.4966 ± 0.0012 Å
b	13.3441 ± 0.0013 Å
c	22.168 ± 0.002 Å
α	76.217 ± 0.002°
β	82.452 ± 0.002°
γ	76.299 ± 0.002°
Cell volume	3198.8 ± 0.5 Å³
Cell temperature	184 ± 2 K
Ambient diffraction temperature	184.65 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	0.177
Residual factor for significantly intense reflections	0.0883
Weighted residual factors for significantly intense reflections	0.1881
Weighted residual factors for all reflections included in the refinement	0.2371
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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
251623 (current)	2020-05-05	cif/ Updating files of 7703856, 7703857, 7703858, 7703859, 7703860, 7703861 Original log message: Adding full bibliography for 7703856--7703861.cif.	7703857.cif
249722	2020-03-26	cif/ Adding structures of 7703856, 7703857, 7703858, 7703859, 7703860, 7703861 via cif-deposit CGI script.	7703857.cif