Crystallography Open Database

Information card for entry 7056647

Preview

Coordinates	7056647.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H40 F12 N8 Ni P2
Calculated formula	C40 H40 F12 N8 Ni P2
Title of publication	Synthesis and structural characterization of metal complexes with macrocyclic tetracarbene ligands
Authors of publication	Fei, Fan; Lu, Taotao; Chen, Xue-tai; Xue, Ziling Ben
Journal of publication	New J. Chem.
Year of publication	2017
Journal volume	41
Journal issue	22
Pages of publication	13442 - 13453
a	16.245 ± 0.003 Å
b	14.013 ± 0.003 Å
c	20.618 ± 0.004 Å
α	90°
β	93.493 ± 0.004°
γ	90°
Cell volume	4684.8 ± 1.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1457
Residual factor for significantly intense reflections	0.0628
Weighted residual factors for significantly intense reflections	0.1101
Weighted residual factors for all reflections included in the refinement	0.1332
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301442 (current)	2025-08-04	Updating journal pages, volumes and years from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis)	7056647.cif
201497	2017-09-29	cif/ Adding structures of 7056640, 7056641, 7056642, 7056643, 7056644, 7056645, 7056646, 7056647, 7056648, 7056649, 7056650, 7056651 via cif-deposit CGI script.	7056647.cif