Crystallography Open Database

Information card for entry 4507719

Preview

Coordinates	4507719.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H26 Cu2 O10
Calculated formula	C40 H22 Cu2 O10
Title of publication	A Doubly Interpenetrated Metal‒Organic Framework with Open Metal Sites and Suitable Pore Sizes for Highly Selective Separation of Small Hydrocarbons at Room Temperature
Authors of publication	Cai, Jianfeng; Yu, Jiancan; Xu, Hui; He, Yabing; Duan, Xing; Cui, Yuanjing; Wu, Chuande; Chen, Banglin; Qian, Guodong
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	5
Pages of publication	2094
a	28.1968 ± 0.0013 Å
b	28.1968 ± 0.0013 Å
c	18.1399 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	14422.3 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	119
Hermann-Mauguin space group symbol	I -4 m 2
Hall space group symbol	I -4 -2
Residual factor for all reflections	0.0579
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1293
Weighted residual factors for all reflections included in the refinement	0.1337
Goodness-of-fit parameter for all reflections included in the refinement	1.17
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179613 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/77.	4507719.cif
85644	2013-05-07	cif/ Adding structures of 4507719 via cif-deposit CGI script.	4507719.cif