Crystallography Open Database

Information card for entry 4333616

Preview

Coordinates	4333616.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H38 Cu N4 O6 P2
Calculated formula	C40 H38 Cu N4 O6 P2
Title of publication	Unusual Formation of a Stable 2D Copper Porphyrin Network
Authors of publication	Anna A. Sinelshchikova; Sergey E. Nefedov; Yulia Yu. Enakieva; Yulia G. Gorbunova; Aslan Yu. Tsivadze; Karl M. Kadish; Ping Chen; Alla Bessmertnykh-Lemeune; Christine Stern; Roger Guilard
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	999 - 1008
a	12.3787 ± 0.0006 Å
b	11.7319 ± 0.0005 Å
c	12.2028 ± 0.0006 Å
α	90°
β	91.858 ± 0.001°
γ	90°
Cell volume	1771.23 ± 0.14 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.0417
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.1081
Weighted residual factors for all reflections included in the refinement	0.111
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179439 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/36.	4333616.cif
99412	2014-01-31	cif/ Adding structures of 4333616 via cif-deposit CGI script.	4333616.cif