Crystallography Open Database

Information card for entry 1564430

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Coordinates	1564430.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H22 Ca N10 O6
Calculated formula	C18 H20 Ca N10 O6
Title of publication	Synthesis and anticancer property of three new Ca (II) compounds derived from tetrazole carboxylate ligands
Authors of publication	Shen, Lei; Chen, Jianjiao; Zou, Zhenyuan; Ke, Zhen; Wei, Bo; Yang, Jie; Zou, Dengfeng
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	509
Pages of publication	119659
a	7.7997 ± 0.0016 Å
b	10.537 ± 0.002 Å
c	27.732 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	2279.2 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0957
Residual factor for significantly intense reflections	0.084
Weighted residual factors for significantly intense reflections	0.2461
Weighted residual factors for all reflections included in the refinement	0.2526
Goodness-of-fit parameter for all reflections included in the refinement	1.84
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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