Crystallography Open Database

Information card for entry 7133577

Preview

Coordinates	7133577.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H19 B Cu N6 O2 S
Calculated formula	C17.004 H19.004 B Cu N6 O2 S0.996
Title of publication	Enhancing CO<sub>2</sub> electroreduction to ethylene <i>via</i> microenvironment regulation in boron-imidazolate frameworks.
Authors of publication	Lu, Chen; Hong, Qin-Long; Zhang, Hai-Xia; Zhang, Jian
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	74
Pages of publication	10204 - 10207
a	12.9474 ± 0.0002 Å
b	8.9144 ± 0.0001 Å
c	17.0439 ± 0.0003 Å
α	90°
β	94.799 ± 0.001°
γ	90°
Cell volume	1960.28 ± 0.05 Å³
Cell temperature	100 ± 0.3 K
Ambient diffraction temperature	100 ± 0.3 K
Number of distinct elements	7
Space group number	9
Hermann-Mauguin space group symbol	I 1 a 1
Hall space group symbol	I -2ya
Residual factor for all reflections	0.0518
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.1197
Weighted residual factors for all reflections included in the refinement	0.1209
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.3405 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
295137 (current)	2024-10-06	cif/ Updating files of 7133576, 7133577, 7133578, 7133579 Original log message: Adding full bibliography for 7133576--7133579.cif.	7133577.cif
294188	2024-08-24	cif/ Adding structures of 7133576, 7133577, 7133578, 7133579 via cif-deposit CGI script.	7133577.cif