Crystallography Open Database

Information card for entry 7117450

Preview

Coordinates	7117450.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C144 H124 B4 Cl0 Cu4 F16 N12 O0 P4
Calculated formula	C144 H124 B4 Cu4 F16 N12 P4
Title of publication	Supramolecular metallacycles with a 'pseudo double-paracyclophane' structure based on flexible π-conjugated linkers.
Authors of publication	Shen, W.; El Sayed Moussa, M.; Yao, Y.; Lescop, C.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2015
Journal volume	51
Journal issue	58
Pages of publication	11560 - 11563
a	15.189 ± 0.002 Å
b	15.957 ± 0.002 Å
c	23.446 ± 0.002 Å
α	107.923 ± 0.004°
β	101.304 ± 0.004°
γ	104.447 ± 0.004°
Cell volume	5001.1 ± 1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1048
Residual factor for significantly intense reflections	0.0598
Weighted residual factors for significantly intense reflections	0.1476
Weighted residual factors for all reflections included in the refinement	0.1614
Goodness-of-fit parameter for all reflections included in the refinement	0.883
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7117450.cif
141482	2015-07-09	cif/ Adding structures of 7117449, 7117450, 7117451, 7117452, 7117453, 7117454 via cif-deposit CGI script.	7117450.cif