Crystallography Open Database

Information card for entry 1550333

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Coordinates	1550333.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4.4 H2.8 Ca O5
Calculated formula	C4.4 H2.8 Ca O5
Title of publication	Molecular sieving of ethylene from ethane using a rigid metal-organic framework
Authors of publication	Rui-Biao Lin; Libo Li; Hao-Long Zhou; Hui Wu; Chaohui He; Shun Li; Rajamani Krishna; Jinping Li; Wei Zhou; Banglin Chen
Journal of publication	Nature Materials
Year of publication	2018
Journal volume	17
Pages of publication	1128 - 1133
a	13.6335 ± 0.0007 Å
b	13.6335 ± 0.0007 Å
c	7.6869 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	1428.8 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	122
Hermann-Mauguin space group symbol	I -4 2 d
Hall space group symbol	I -4 2bw
Residual factor for all reflections	0.0512
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1402
Weighted residual factors for all reflections included in the refinement	0.1424
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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