Crystallography Open Database

Information card for entry 7249928

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Coordinates	7249928.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C186 H192 Ca3 N6 O6
Calculated formula	C186 H192 Ca3 N6 O6
Title of publication	Partial and complete hydrolysis of metal complexes based on monoiminoacenaphthene-1-ones
Authors of publication	Lukoyanov, Anton N.; Zvereva, Yulia V.; Cherkasov, Anton V.; Zhigulin, Grigory Yu.; Kharitonov, Nikita P.; Ketkov, Sergey Yu.
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	12
Pages of publication	1749 - 1762
a	26.9692 ± 0.0016 Å
b	26.9692 ± 0.0016 Å
c	17.5013 ± 0.0011 Å
α	90°
β	90°
γ	120°
Cell volume	11023.9 ± 1.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.139
Residual factor for significantly intense reflections	0.0895
Weighted residual factors for significantly intense reflections	0.215
Weighted residual factors for all reflections included in the refinement	0.2493
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
298871 (current)	2025-04-05	cif/ Updating files of 7249926, 7249927, 7249928, 7249929, 7249930, 7249931, 7249932 Original log message: Adding full bibliography for 7249926--7249932.cif.	7249928.cif
297671	2025-02-11	cif/ Adding structures of 7249926, 7249927, 7249928, 7249929, 7249930, 7249931, 7249932 via cif-deposit CGI script.	7249928.cif