Crystallography Open Database

Information card for entry 4514578

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Coordinates	4514578.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	14.8086 ± 0.0004 Å
b	15.9794 ± 0.0005 Å
c	18.2659 ± 0.0003 Å
α	101.054 ± 0.002°
β	111.35 ± 0.002°
γ	90.981 ± 0.002°
Cell volume	3933.09 ± 0.19 Å³
Cell temperature	298.33 ± 0.1 K
Ambient diffraction temperature	298.33 ± 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	0.0675
Residual factor for significantly intense reflections	0.0616
Weighted residual factors for significantly intense reflections	0.1884
Weighted residual factors for all reflections included in the refinement	0.1947
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
219762 (current)	2019-10-28	cif/ Adding structures of 4514578 via cif-deposit CGI script.	4514578.cif