Crystallography Open Database

Information card for entry 4310676

Preview

Coordinates	4310676.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H54 Cd2 N8
Calculated formula	C70 H54 Cd2 N8
SMILES	[Cd]1234[n]5c6=C(C7=C[N]([Cd]89%10[n]%11c%12=C(C%13=C[N]3=C(C%10%13)C(=c3[n]9c(C=c9n8c(=Cc%11cc%12)cc9)cc3)c3ccccc3)c3ccccc3)=C(C47)C(=c3[n]2c(C=c2n1c(=Cc5cc6)cc2)cc3)c1ccccc1)c1ccccc1.CCCCCC
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	12.379 ± 0.008 Å
b	15.64 ± 0.01 Å
c	17.46 ± 0.01 Å
α	63.24 ± 0.06°
β	78.22 ± 0.06°
γ	67.43 ± 0.06°
Cell volume	2785 ± 4 Å³
Cell temperature	123.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.085
Weighted residual factors for all reflections included in the refinement	0.11
Goodness-of-fit parameter for all reflections included in the refinement	0.991
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.	4310676.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4310676.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4310676.cif
2164	2010-11-08	../uploads/cif-deposit/cod/cif Adding structures of 4310676 via cif-deposit CGI script.	4310676.cif