Crystallography Open Database

Information card for entry 4519207

4519206 << 4519207 >> 4519208

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Coordinates	4519207.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H10 Ca N5 O3
Calculated formula	C9 H10 Ca N5 O3
Title of publication	Acetylene Separation by a Ca-MOF Containing Accessible Sites of Open Metal Centers and Organic Groups.
Authors of publication	Wang, Gang-Ding; Li, Yong-Zhi; Zhang, Wan-Fang; Hou, Lei; Wang, Yao-Yu; Zhu, Zhonghua
Journal of publication	ACS applied materials & interfaces
Year of publication	2021
Journal volume	13
Journal issue	49
Pages of publication	58862 - 58870
a	31.8746 ± 0.0014 Å
b	31.8746 ± 0.0014 Å
c	8.8989 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	7829.9 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.1028
Residual factor for significantly intense reflections	0.0955
Weighted residual factors for significantly intense reflections	0.2064
Weighted residual factors for all reflections included in the refinement	0.2092
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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