Crystallography Open Database

Information card for entry 1568044

Preview

Coordinates	1568044.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H12 B3 N3 O3
Calculated formula	C15 H12 B3 N3 O3
Title of publication	Dative B←N bonds based crystalline organic framework with permanent porosity for acetylene storage and separation.
Authors of publication	Wang, Weize; Wang, Linxia; Du, Fei; Wang, Gang-Ding; Hou, Lei; Zhu, Zhonghua; Liu, Bo; Wang, Yao-Yu
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	3
Pages of publication	533 - 539
a	11.4709 ± 0.0016 Å
b	9.6054 ± 0.0015 Å
c	10.811 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1191.2 ± 0.3 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	5
Space group number	59
Hermann-Mauguin space group symbol	P m m n :2
Hall space group symbol	-P 2ab 2a
Residual factor for all reflections	0.113
Residual factor for significantly intense reflections	0.0689
Weighted residual factors for significantly intense reflections	0.1892
Weighted residual factors for all reflections included in the refinement	0.2157
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
281398 (current)	2023-03-04	cif/ Updating files of 1568044 Original log message: Adding full bibliography for 1568044.cif.	1568044.cif
279740	2022-12-07	cif/ Adding structures of 1568044 via cif-deposit CGI script.	1568044.cif