Crystallography Open Database

Information card for entry 4348987

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Structure parameters

Formula	C24 H30 B2 F8 N6
Calculated formula	C24 H30 B2 F8 N6
SMILES	[B](F)(F)(F)[F-].c1c(n(n[n+]1c1c(cc(cc1C)C)C)C)c1c[n+](c2c(cc(cc2C)C)C)nn1C.[B](F)(F)(F)[F-]
Title of publication	Exploring potential cooperative effects in dicopper(i)-di-mesoionic carbene complexes: applications in click catalysis
Authors of publication	Hohloch, Stephan; Suntrup, Lisa; Sarkar, Biprajit
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2016
Journal volume	3
Journal issue	1
Pages of publication	67
a	12.995 ± 0.004 Å
b	8.874 ± 0.003 Å
c	11.389 ± 0.003 Å
α	90°
β	91.646 ± 0.007°
γ	90°
Cell volume	1312.8 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0855
Residual factor for significantly intense reflections	0.0556
Weighted residual factors for significantly intense reflections	0.1608
Weighted residual factors for all reflections included in the refinement	0.1892
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
301840 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure.	4348987.cif
233529	2019-11-23	cif/ Adding structures of 4348987, 4348988, 4348989 via cif-deposit CGI script.	4348987.cif