Crystallography Open Database

Information card for entry 7700043

Preview

Coordinates	7700043.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H27 Cl0.5 Cu6 N3 O35
Calculated formula	C66 H27 Cl0.5 Cu6 N3 O35
Title of publication	Reaction duration-dependent formation of two Cu(ii)-MOFs with selective adsorption properties of C<sub>3</sub>H<sub>4</sub> over C<sub>3</sub>H<sub>6</sub>.
Authors of publication	Xu, Ming-Ming; Kong, Xiang-Jing; He, Tao; Wu, Xue-Qian; Xie, Lin-Hua; Li, Jian-Rong
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	25
Pages of publication	9225 - 9233
a	18.4362 ± 0.0007 Å
b	33.5056 ± 0.001 Å
c	25.5225 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	15765.7 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	58
Hermann-Mauguin space group symbol	P n n m
Hall space group symbol	-P 2 2n
Residual factor for all reflections	0.1108
Residual factor for significantly intense reflections	0.0567
Weighted residual factors for significantly intense reflections	0.1324
Weighted residual factors for all reflections included in the refinement	0.1537
Goodness-of-fit parameter for all reflections included in the refinement	0.918
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
224205 (current)	2019-11-08	cif/ Updating files of 7700043, 7700044 Original log message: Adding full bibliography for 7700043--7700044.cif.	7700043.cif
215383	2019-05-22	cif/ Adding structures of 7700043, 7700044 via cif-deposit CGI script.	7700043.cif