Crystallography Open Database

Information card for entry 1562006

1562005 << 1562006 >> 1562007

Preview

Coordinates	1562006.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C195.5 H248 N19 O67 Zr6
Calculated formula	C141.5 H122 N O49 Zr6
Title of publication	Chiral and robust Zr(IV)-based metal-organic frameworks built from spiro skeletons.
Authors of publication	Gong, Wei; Liu, Yan; Cui, Yong
Journal of publication	Faraday discussions
Year of publication	2021
Journal volume	231
Journal issue	0
Pages of publication	168 - 180
a	25.1903 ± 0.001 Å
b	29.0888 ± 0.0012 Å
c	64.585 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	47325 ± 3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0367
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0769
Weighted residual factors for all reflections included in the refinement	0.0783
Goodness-of-fit parameter for all reflections included in the refinement	1.116
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
270456 (current)	2021-11-06	cif/ Updating files of 1562006, 1562007, 1562008, 1562009, 1562010 Original log message: Adding full bibliography for 1562006--1562010.cif.	1562006.cif
264440	2021-04-23	cif/ Adding structures of 1562006 via cif-deposit CGI script.	1562006.cif