Crystallography Open Database

Information card for entry 1549880

Preview

Coordinates	1549880.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H16 B Cd N8 O5
Calculated formula	C17 H16 B Cd N8 O5
Title of publication	A boron imidazolate framework with mechanochromic and electrocatalytic properties
Authors of publication	Wen, Tian; Zheng, Yao; Xu, Chaochen; Zhang, Jian; Jaroniec, Mietek; Qiao, Shi-Zhang
Journal of publication	Materials Horizons
Year of publication	2018
Journal volume	5
Journal issue	6
Pages of publication	1151
a	9.2198 ± 0.0005 Å
b	14.0236 ± 0.0008 Å
c	15.7941 ± 0.0008 Å
α	90°
β	105.723 ± 0.005°
γ	90°
Cell volume	1965.69 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0421
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0652
Weighted residual factors for all reflections included in the refinement	0.0694
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
230979 (current)	2019-11-17	cif/ Updating files of 1549880 Original log message: Adding full bibliography for 1549880.cif.	1549880.cif
210480	2018-09-06	cif/ Adding structures of 1549880 via cif-deposit CGI script.	1549880.cif