Crystallography Open Database

Information card for entry 7125765

Preview

Coordinates	7125765.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H40 Br2 Cu2 N8 Ni2
Calculated formula	C38 H40 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	9.6279 ± 0.0005 Å
b	21.6105 ± 0.0013 Å
c	9.4506 ± 0.0005 Å
α	90°
β	112.988 ± 0.004°
γ	90°
Cell volume	1810.17 ± 0.18 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	0.0737
Residual factor for significantly intense reflections	0.0586
Weighted residual factors for significantly intense reflections	0.1508
Weighted residual factors for all reflections included in the refinement	0.1729
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation probe	x-ray
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
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.	7125765.cif