Crystallography Open Database

Information card for entry 4514573

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Coordinates	4514573.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H40 Cd2 N16 O8
Calculated formula	C64 H40 Cd2 N16 O8
Title of publication	Rational Construction of Breathing Metal-Organic Frameworks through Synergy of a Stretchy Ligand and Highly Variable π-π Interaction.
Authors of publication	Zhang, Ying; Meng, Xiao-Qing; Ding, Hao-Jing; Wang, Xi; Yu, Mei-Hui; Zhang, Shu-Ming; Chang, Ze; Bu, Xian-He
Journal of publication	ACS applied materials & interfaces
Year of publication	2019
Journal volume	11
Journal issue	23
Pages of publication	20995 - 21003
a	14.7847 ± 0.0004 Å
b	15.6515 ± 0.0003 Å
c	18.4365 ± 0.0005 Å
α	99.028 ± 0.002°
β	113.269 ± 0.002°
γ	92.474 ± 0.002°
Cell volume	3844.6 ± 0.18 Å³
Cell temperature	120 ± 0.1 K
Ambient diffraction temperature	120 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0553
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.1529
Weighted residual factors for all reflections included in the refinement	0.1566
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
219757 (current)	2019-10-28	cif/ Adding structures of 4514573 via cif-deposit CGI script.	4514573.cif