Crystallography Open Database

Information card for entry 1515271

Preview

Coordinates	1515271.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67.5 H36 B F24 N5 P
Calculated formula	C67.5 H36 B F24 N5 P
Title of publication	Phosphorus complexes of a triply-fused [24]pentaphyrin
Authors of publication	Higashino, Tomohiro; Osuka, Atsuhiro
Journal of publication	Chemical Science
Year of publication	2012
Journal volume	3
Journal issue	1
Pages of publication	103
a	30.1073 ± 0.0006 Å
b	18.082 ± 0.0003 Å
c	22.4608 ± 0.0004 Å
α	90°
β	106.257 ± 0.001°
γ	90°
Cell volume	11738.8 ± 0.4 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.122
Residual factor for significantly intense reflections	0.0759
Weighted residual factors for significantly intense reflections	0.1433
Weighted residual factors for all reflections included in the refinement	0.1619
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1515271.cif
110925	2014-04-20	cif/ Adding structures of 1515271, 1515272, 1515273, 1515274 via cif-deposit CGI script.	1515271.cif