Crystallography Open Database

Information card for entry 1562008

1562007 << 1562008 >> 1562009

Preview

Coordinates	1562008.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H42 O17 Zr3
Calculated formula	C61 H42 O17 Zr3
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	42.697 ± 0.006 Å
b	42.697 ± 0.006 Å
c	37.907 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	69106 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	98
Hermann-Mauguin space group symbol	I 41 2 2
Hall space group symbol	I 4bw 2bw
Residual factor for all reflections	0.1252
Residual factor for significantly intense reflections	0.0616
Weighted residual factors for significantly intense reflections	0.156
Weighted residual factors for all reflections included in the refinement	0.2058
Goodness-of-fit parameter for all reflections included in the refinement	0.979
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.	1562008.cif
264442	2021-04-23	cif/ Adding structures of 1562008 via cif-deposit CGI script.	1562008.cif