Crystallography Open Database

Information card for entry 1564429

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Coordinates	1564429.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H18 Ca N12 O6
Calculated formula	C16 H18 Ca N12 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	7.8247 ± 0.0016 Å
b	10.101 ± 0.002 Å
c	14.815 ± 0.003 Å
α	99.91 ± 0.03°
β	90.86 ± 0.03°
γ	95.17 ± 0.03°
Cell volume	1148.2 ± 0.4 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2195
Residual factor for significantly intense reflections	0.1107
Weighted residual factors for significantly intense reflections	0.2061
Weighted residual factors for all reflections included in the refinement	0.2464
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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