Crystallography Open Database

Information card for entry 8105780

Preview

Coordinates	8105780.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H36 Cl2 Co2 N6 O6
Calculated formula	C36 H36 Cl2 Co2 N6 O6
Title of publication	Crystal structure of diaqua-dichlorido-bis(μ2-2-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino)methyl)phenolato-κ4 O:O,N,O′)dicobalt(II), C36H36Cl2N6O6Co2
Authors of publication	Pang, Haixia; He, Xiong; Feng, Xiang; Yuan, Ximing
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2019
Journal volume	234
Journal issue	3
Pages of publication	563 - 565
a	7.4399 ± 0.0009 Å
b	9.5362 ± 0.0011 Å
c	13.1754 ± 0.0015 Å
α	73.589 ± 0.002°
β	84.396 ± 0.002°
γ	74.709 ± 0.002°
Cell volume	864.68 ± 0.18 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0384
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.0848
Weighted residual factors for all reflections included in the refinement	0.1068
Goodness-of-fit parameter for all reflections included in the refinement	1.124
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
277915 (current)	2022-09-16	cif/ Adding structures of 8105780 via cif-deposit CGI script.	8105780.cif