Crystallography Open Database

Information card for entry 4107319

Preview

Coordinates	4107319.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H42 Cl2 N3 P
Calculated formula	C46 H42 Cl2 N3 P
Title of publication	Syntheses, Structures, and Coordination Chemistry of Phosphole-Containing Hybrid Calixphyrins: Promising Macrocyclic P,N2,X-Mixed Donor Ligands for Designing Reactive Transition-Metal Complexes
Authors of publication	Yoshihiro Matano; Tooru Miyajima; Noriaki Ochi; Takashi Nakabuchi; Motoo Shiro; Yoshihide Nakao; Shigeyoshi Sakaki; Hiroshi Imahori
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	990 - 1002
a	25.9707 ± 0.0005 Å
b	10.16657 ± 0.00018 Å
c	31.7731 ± 0.0006 Å
α	90°
β	113.403 ± 0.0007°
γ	90°
Cell volume	7699 ± 0.3 Å³
Cell temperature	93.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.1414
Weighted residual factors for all reflections included in the refinement	0.4181
Goodness-of-fit parameter for all reflections included in the refinement	1.237
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4107319.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107319.cif
54984	2012-05-02	cif/ Adding structures of 4107319 via cif-deposit CGI script.	4107319.cif