Crystallography Open Database

Information card for entry 7121858

Preview

Coordinates	7121858.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H28 F12 N8 Ni P2
Calculated formula	C30 H28 F12 N8 Ni P2
Title of publication	Unusual rearrangement of an N-heterocyclic carbene via a ring-opening and ring-closing process.
Authors of publication	Yang, Chu-Fan; Lu, Taotao; Chen, Xue-Tai; Xue, Zi-Ling
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	56
Pages of publication	7830 - 7833
a	11.199 ± 0.0007 Å
b	15.1982 ± 0.0009 Å
c	19.638 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	3342.5 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0368
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0742
Weighted residual factors for all reflections included in the refinement	0.0758
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
228135 (current)	2019-11-17	cif/ Updating files of 7121857, 7121858, 7121859, 7121860 Original log message: Adding full bibliography for 7121857--7121860.cif.	7121858.cif
208545	2018-06-20	cif/ Adding structures of 7121857, 7121858, 7121859, 7121860 via cif-deposit CGI script.	7121858.cif