Crystallography Open Database

Information card for entry 4310675

Preview

Coordinates	4310675.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H48 Cl4 N8 Zn2
Calculated formula	C68 H48 Cl4 N8 Zn2
SMILES	[Zn]123n4c5C(=c6cc([n]([Zn]78n9c%10C(=c%11cc([n]3c%11)C(=c3n8c(=Cc8[n]7c(=Cc9cc%10)cc8)cc3)c3ccccc3)c3ccccc3)c6)C(=c3n2c(=Cc2[n]1c(=Cc4cc5)cc2)cc3)c1ccccc1)c1ccccc1.ClCCCl.ClCCCl
Title of publication	Structures and Ligand Exchange of N-Confused Porphyrin Dimer Complexes with Group 12 Metals
Authors of publication	Hiroyuki Furuta; Tatsuki Morimoto; Atsuhiro Osuka
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	1618 - 1624
a	13.9012 ± 0.0004 Å
b	14.511 ± 0.0003 Å
c	16.5462 ± 0.0004 Å
α	67.493 ± 0.004°
β	81.366 ± 0.003°
γ	63.664 ± 0.005°
Cell volume	2762.66 ± 0.19 Å³
Cell temperature	123.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.089
Weighted residual factors for all reflections included in the refinement	0.121
Goodness-of-fit parameter for all reflections included in the refinement	1.378
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4310675.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4310675.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4310675.cif
2163	2010-11-08	../uploads/cif-deposit/cod/cif Adding structures of 4310675 via cif-deposit CGI script.	4310675.cif