Crystallography Open Database

Information card for entry 7245962

Preview

Coordinates	7245962.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H17 Cu2 N6.5 O6.5
Calculated formula	C20 H17 Cu2 N6.5 O6.5
Title of publication	Enhancing the stability of metal–organic framework via ligand modification: scalable synthesis and high selectivity of CO2 sorption property
Authors of publication	Chen, Di-Ming; Zhang, Xue-Jing
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	3
Pages of publication	467 - 472
a	13.7089 ± 0.0004 Å
b	26.6171 ± 0.0006 Å
c	15.8127 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	5769.9 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	50
Hermann-Mauguin space group symbol	P b a n :2
Hall space group symbol	-P 2ab 2b
Residual factor for all reflections	0.062
Residual factor for significantly intense reflections	0.055
Weighted residual factors for significantly intense reflections	0.155
Weighted residual factors for all reflections included in the refinement	0.1602
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
281457 (current)	2023-03-04	cif/ Updating files of 7245961, 7245962, 7245963 Original log message: Adding full bibliography for 7245961--7245963.cif.	7245962.cif
279745	2022-12-07	cif/ Adding structures of 7245961, 7245962, 7245963 via cif-deposit CGI script.	7245962.cif