Crystallography Open Database

Information card for entry 7125763

Preview

Coordinates	7125763.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H36 Br2 Cu2 N8 Ni2
Calculated formula	C36 H36 Br2 Cu2 N8 Ni2
Title of publication	Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.
Authors of publication	Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2019
Journal volume	55
Journal issue	65
Pages of publication	9705 - 9708
a	9.5888 ± 0.0012 Å
b	20.771 ± 0.002 Å
c	9.4041 ± 0.0012 Å
α	90°
β	112.364 ± 0.009°
γ	90°
Cell volume	1732.1 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1311
Residual factor for significantly intense reflections	0.1025
Weighted residual factors for significantly intense reflections	0.2746
Weighted residual factors for all reflections included in the refinement	0.3287
Goodness-of-fit parameter for all reflections included in the refinement	1.091
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
246593 (current)	2020-01-04	cif/ Adding structures of 7125740, 7125741, 7125742, 7125743, 7125744, 7125745, 7125746, 7125747, 7125748, 7125749, 7125750, 7125751, 7125752, 7125753, 7125754, 7125755, 7125756, 7125757, 7125758, 7125759, 7125760, 7125761, 7125762, 7125763, 7125764, 7125765 via cif-deposit CGI script.	7125763.cif