Crystallography Open Database

Information card for entry 4111216

Preview

Coordinates	4111216.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C87 H68 Cl2 Cu N7 O2 P2 Zn
Calculated formula	C87 H68 Cl2 Cu N7 O2 P2 Zn
Title of publication	Supramolecular Allosteric Cofacial Porphyrin Complexes
Authors of publication	Christopher G. Oliveri; Nathan C. Gianneschi; SonBinh T. Nguyen; Chad A. Mirkin; Charlotte L. Stern; Zdzislaw Wawrzak; Maren Pink
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	16286 - 16296
a	13.127 ± 0.009 Å
b	16.349 ± 0.008 Å
c	22.544 ± 0.012 Å
α	97.501 ± 0.006°
β	96.354 ± 0.014°
γ	100.273 ± 0.01°
Cell volume	4675 ± 5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1563
Residual factor for significantly intense reflections	0.1089
Weighted residual factors for significantly intense reflections	0.2624
Weighted residual factors for all reflections included in the refinement	0.2787
Goodness-of-fit parameter for all reflections included in the refinement	0.974
Diffraction radiation wavelength	0.71 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178883 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/12.	4111216.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111216.cif
60741	2012-06-18	cif/ Adding structures of 4111216 via cif-deposit CGI script.	4111216.cif