Crystallography Open Database

Information card for entry 7716002

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Coordinates	7716002.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H53 Co F12 N10 P2
Calculated formula	C70 H53 Co F12 N10 P2
Title of publication	Spin crossover cobalt(II) complexes exhibiting temperature- and concentration-dependent optical changes in solution
Authors of publication	Izumiyama, Naoki; Fujii, Shun; Kato, Kiichi; Tokunaga, Ryuya; Hayami, Shinya; Nakaya, Manabu
Journal of publication	Dalton Transactions
Year of publication	2024
a	10.5636 ± 0.0004 Å
b	16.2032 ± 0.0006 Å
c	35.959 ± 0.0017 Å
α	90°
β	91.231 ± 0.002°
γ	90°
Cell volume	6153.5 ± 0.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0824
Residual factor for significantly intense reflections	0.0604
Weighted residual factors for significantly intense reflections	0.1506
Weighted residual factors for all reflections included in the refinement	0.1668
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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