Crystallography Open Database

Information card for entry 7038347

Preview

Coordinates	7038347.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28.5 H28 B Cu N6.5 O0.5
Calculated formula	C28.5 H28 B Cu N6.5 O0.5
Title of publication	Synthesis of borocarbonitride from a multifunctional Cu(i) boron imidazolate framework.
Authors of publication	Wen, Tian; Chen, Er-Xia; Zhang, De-Xiang; Zhang, Jian
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	12
Pages of publication	5223 - 5228
a	28.7669 ± 0.0006 Å
b	9.4653 ± 0.0002 Å
c	20.697 ± 0.0005 Å
α	90°
β	104.402 ± 0.002°
γ	90°
Cell volume	5458.4 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0581
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.1239
Weighted residual factors for all reflections included in the refinement	0.1338
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
181677 (current)	2016-04-05	cif/ Updating files of 7038347, 7038348 Original log message: Adding full bibliography for 7038347--7038348.cif.	7038347.cif
176316	2016-02-10	cif/ Adding structures of 7038347, 7038348 via cif-deposit CGI script.	7038347.cif