Crystallography Open Database

Information card for entry 7125764

Preview

Coordinates	7125764.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H28 I2 N8 Ni2 Zn
Calculated formula	C32 H28 I2 N8 Ni2 Zn
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	17.7226 ± 0.0007 Å
b	16.5686 ± 0.0005 Å
c	21.4449 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	6297.1 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0736
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.118
Weighted residual factors for all reflections included in the refinement	0.1328
Goodness-of-fit parameter for all reflections included in the refinement	1.135
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.	7125764.cif