Crystallography Open Database

Information card for entry 7121993

7121992 << 7121993 >> 7121994

Preview

Coordinates	7121993.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62.68 H123.36 B6 Br4 Mg2 N2 O2 P4 Si4
Calculated formula	C62.679 H123.358 B6 Br4 Mg2 N2 O2 P4 Si4
Title of publication	Complexation of asymmetric diborenes with magnesium bromide.
Authors of publication	Lu, Wei; Kinjo, Rei
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	64
Pages of publication	8842 - 8844
a	16.6079 ± 0.0004 Å
b	16.8383 ± 0.0004 Å
c	17.897 ± 0.0005 Å
α	107.011 ± 0.001°
β	97.982 ± 0.001°
γ	109.327 ± 0.001°
Cell volume	4359.4 ± 0.2 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0545
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.1187
Weighted residual factors for all reflections included in the refinement	0.1285
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
228227 (current)	2019-11-17	cif/ Updating files of 7121992, 7121993 Original log message: Adding full bibliography for 7121992--7121993.cif.	7121993.cif
209135	2018-07-20	cif/ Adding structures of 7121992, 7121993 via cif-deposit CGI script.	7121993.cif