Crystallography Open Database

Information card for entry 7152466

Preview

Coordinates	7152466.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C120 H94 N12 O4 Zn2
Calculated formula	C120 H94 N12 O4 Zn2
Title of publication	Porphyrin dyads linked by a rotatable 3,3'-biphenyl scaffold: a new binding motif for small ditopic molecules.
Authors of publication	Mulholland, Amy R.; Thordarson, Pall; Mensforth, Emily J.; Langford, Steven J.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2012
Journal volume	10
Journal issue	30
Pages of publication	6045 - 6053
a	10.09 ± 0.002 Å
b	30.792 ± 0.006 Å
c	31.472 ± 0.006 Å
α	103.63 ± 0.03°
β	91.68 ± 0.03°
γ	93.67 ± 0.03°
Cell volume	9473 ± 3 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 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 all reflections	0.1346
Residual factor for significantly intense reflections	0.0992
Weighted residual factors for significantly intense reflections	0.2726
Weighted residual factors for all reflections included in the refinement	0.3072
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71254 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180310 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/24.	7152466.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7152466.cif
64392	2012-08-12	cif/ Adding structures of 7152466 via cif-deposit CGI script.	7152466.cif