Crystallography Open Database

Information card for entry 7112077

7112076 << 7112077 >> 7112078

Preview

Coordinates	7112077.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H84 K N3 O4
Calculated formula	C55 H84 K N3 O4
Title of publication	'Janus-type' organopotassium chemistry observed in deprotonation of mesoionic imidazolium aminides and amino N-heterocyclic carbenes: coordination and organometallic polymers
Authors of publication	Andreas A. Danopoulos; Pierre Braunstein
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	3055
a	23.271 ± 0.005 Å
b	10.689 ± 0.005 Å
c	22.097 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	5496 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0776
Residual factor for significantly intense reflections	0.0658
Weighted residual factors for significantly intense reflections	0.1858
Weighted residual factors for all reflections included in the refinement	0.1975
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301857 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure.	7112077.cif
180234	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/20.	7112077.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7112077.cif
104430	2014-03-11	cif/ Adding structures of 7112075, 7112076, 7112077, 7112078, 7112079, 7112080, 7112081 via cif-deposit CGI script.	7112077.cif