Crystallography Open Database

Information card for entry 7230380

Preview

Coordinates	7230380.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C116 H88 Cl6 N8
Calculated formula	C116 H88 Cl6 N8
Title of publication	A supramolecular photocatalyst composed of a polyoxometalate and a photosensitizing water-soluble porphyrin diacid for the oxidation of organic substrates in water
Authors of publication	Ishizuka, Tomoya; Ohkawa, Shumpei; Ochiai, Hidemi; Hashimoto, Muneaki; Ohkubo, Kei; Kotani, Hiroaki; Sadakane, Masahiro; Fukuzumi, Shunichi; Kojima, Takahiko
Journal of publication	Green Chemistry
Year of publication	2018
Journal volume	20
Journal issue	9
Pages of publication	1975
a	43.317 ± 0.009 Å
b	23.984 ± 0.004 Å
c	28.932 ± 0.007 Å
α	90°
β	117.762 ± 0.004°
γ	90°
Cell volume	26598 ± 10 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.1566
Residual factor for significantly intense reflections	0.111
Weighted residual factors for significantly intense reflections	0.3221
Weighted residual factors for all reflections included in the refinement	0.3485
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
230112 (current)	2019-11-17	cif/ Updating files of 7230380 Original log message: Adding full bibliography for 7230380.cif.	7230380.cif
207141	2018-03-28	cif/ Adding structures of 7230380 via cif-deposit CGI script.	7230380.cif