Crystallography Open Database

Information card for entry 7118665

Preview

Coordinates	7118665.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H24 B Cd N9 O4
Calculated formula	C21 H24 B Cd N9 O4
Title of publication	Selectivity of CO2via pore space partition in zeolitic boron imidazolate frameworks.
Authors of publication	Zhang, Hai-Xia; Liu, Min; Xu, Guilan; Liu, Liyang; Zhang, Jian
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	17
Pages of publication	3552 - 3555
a	9.003 ± 0.005 Å
b	17.382 ± 0.011 Å
c	17.057 ± 0.011 Å
α	90°
β	104.595 ± 0.01°
γ	90°
Cell volume	2583 ± 3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0764
Residual factor for significantly intense reflections	0.0635
Weighted residual factors for significantly intense reflections	0.185
Weighted residual factors for all reflections included in the refinement	0.1942
Goodness-of-fit parameter for all reflections included in the refinement	1.122
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
177704 (current)	2016-03-05	cif/ Updating files of 7118664, 7118665 Original log message: Adding full bibliography for 7118664--7118665.cif.	7118665.cif
175250	2016-01-29	cif/ Adding structures of 7118664, 7118665 via cif-deposit CGI script.	7118665.cif