Crystallography Open Database

Information card for entry 7062973

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Coordinates	7062973.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C132.326 H160.2 Ca4 N21.442 Ni8 O84.1
Calculated formula	C132.32 H128.2 Ca4 N21.44 Ni8 O68.1
Title of publication	Quadruple bridged-carbonate supported dodecanuclear [Ni8Ca4] coordination cluster
Authors of publication	Kajal,; Vinayak, Richa; Gómez-García, Carlos J.; Benmansour, Samia; Nayek, Hari Pada
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	7
Pages of publication	3239 - 3246
a	17.8062 ± 0.0004 Å
b	17.8062 ± 0.0004 Å
c	27.5424 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	8732.6 ± 0.4 Å³
Cell temperature	373 ± 0.1 K
Ambient diffraction temperature	373.15 K
Number of distinct elements	6
Space group number	86
Hermann-Mauguin space group symbol	P 42/n :2
Hall space group symbol	-P 4bc
Residual factor for all reflections	0.0941
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.1315
Weighted residual factors for all reflections included in the refinement	0.1512
Goodness-of-fit parameter for all reflections included in the refinement	1.0586
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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