Crystallography Open Database

Information card for entry 7044274

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Structure parameters

Common name	no
Chemical name	complex of decamethylchromocene with triphenylcorrole, o-dichlorobenzene solvate
Formula	C63 H59 Cl2 Cr N4
Calculated formula	C63 H59 Cl2 Cr N4
Title of publication	Solid state structures and properties of free-base 5, 10, 15-triphenylcorrole (TPCor) anions obtained by deprotonation and reduction. Effective magnetic coupling of spins in (Cp*2Cr+)(H+){H2TPCor(.2-)}.C6H4Cl2
Authors of publication	Konarev, Dmitri V.; Karimov, Dmitry R.; Khasanov, Salavat S.; Shestakov, Alexander F.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.
Journal of publication	Dalton Trans.
Year of publication	2017
a	26.245 ± 0.003 Å
b	10.6383 ± 0.0006 Å
c	36.765 ± 0.003 Å
α	90°
β	90.065 ± 0.008°
γ	90°
Cell volume	10264.9 ± 1.6 Å³
Cell temperature	110 ± 1 K
Ambient diffraction temperature	110 ± 1 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1572
Residual factor for significantly intense reflections	0.0787
Weighted residual factors for significantly intense reflections	0.1593
Weighted residual factors for all reflections included in the refinement	0.1959
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation probe	x-ray
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
301850 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure.	7044274.cif
201018	2017-09-19	cif/ Adding structures of 7044274, 7044275 via cif-deposit CGI script.	7044274.cif