Crystallography Open Database

Information card for entry 4333617

Preview

Coordinates	4333617.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H54 Cu N4 O10 P2
Calculated formula	C48 H54 Cu N4 O10 P2
SMILES	O1CCOCC1.[Cu]123[n]4c5ccc4=C(c4ccc(C(=c6ccc(C(=c7ccc(=C5P(=O)(OCC)OCC)n27)c2ccccc2)[n]16)P(=O)(OCC)OCC)n34)c1ccccc1.O1CCOCC1
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	9.657 ± 0.002 Å
b	11.28 ± 0.003 Å
c	11.705 ± 0.003 Å
α	71.456 ± 0.004°
β	72.223 ± 0.004°
γ	77.807 ± 0.004°
Cell volume	1141.9 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1142
Residual factor for significantly intense reflections	0.0795
Weighted residual factors for significantly intense reflections	0.1877
Weighted residual factors for all reflections included in the refinement	0.21
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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
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.	4333617.cif
99413	2014-01-31	cif/ Adding structures of 4333617 via cif-deposit CGI script.	4333617.cif