Crystallography Open Database

Information card for entry 4514404

Preview

Coordinates	4514404.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64.8 H39.73 Cl N4 Ni O21.33 Zr4
Calculated formula	C64.8 H39.7333 Cl N4 Ni O21.3333 Zr4
Title of publication	Cooperative Sieving and Functionalization of Zr Metal-Organic Frameworks through Insertion and Post-Modification of Auxiliary Linkers.
Authors of publication	Zhang, Liangliang; Yuan, Shuai; Fan, Weidong; Pang, Jiandong; Li, Fugang; Guo, Bingbing; Zhang, Peng; Sun, Daofeng; Zhou, Hong-Cai
Journal of publication	ACS applied materials & interfaces
Year of publication	2019
Journal volume	11
Journal issue	25
Pages of publication	22390 - 22397
a	38.36 ± 0.003 Å
b	38.36 ± 0.003 Å
c	38.36 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	56446 ± 8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	229
Hermann-Mauguin space group symbol	I m -3 m
Hall space group symbol	-I 4 2 3
Residual factor for all reflections	0.1413
Residual factor for significantly intense reflections	0.1163
Weighted residual factors for significantly intense reflections	0.3037
Weighted residual factors for all reflections included in the refinement	0.3181
Goodness-of-fit parameter for all reflections included in the refinement	1.112
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
223174 (current)	2019-11-04	cif/ Updating files of 4514404, 4514405 Original log message: Adding full bibliography for 4514404--4514405.cif.	4514404.cif
215056	2019-05-13	cif/ Adding structures of 4514404, 4514405 via cif-deposit CGI script.	4514404.cif