Crystallography Open Database

Information card for entry 8106233

Preview

Coordinates	8106233.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H35 Co2 N10 O7
Calculated formula	C27 H35 Co2 N10 O7
SMILES	[Co]123([n]4ccccc4CO1)([n]1c(C[O]3[Co]34([n]5c(C[O]23)cccc5)([n]2c(CO4)cccc2)N=N#N)cccc1)N=N#N.OC.OC.OC
Title of publication	Crystal structure of diazido-bis(μ2-pyridin-2-ylmethanolato-κ2 N:O)-bis(pyridin-2-ylmethanolato-κ2 N,O)dicobalt(III) – methanol (1/3), C27H35Co2N10O7
Authors of publication	Youzhu, Yu; Yanhong, Shen; Yongsheng, Niu; Xiaoming, Zheng; Xi, Han; Songyang, Chang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	4
Pages of publication	611 - 613
a	29.628 ± 0.0013 Å
b	7.5784 ± 0.0003 Å
c	14.36 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	3224.3 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0498
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.102
Weighted residual factors for all reflections included in the refinement	0.1133
Goodness-of-fit parameter for all reflections included in the refinement	1.165
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
279531 (current)	2022-11-24	cif/ Adding structures of 8106233 via cif-deposit CGI script.	8106233.cif