Crystallography Open Database

Information card for entry 1515999

Preview

Coordinates	1515999.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H48 Cl Fe O3 P2 Rh
Calculated formula	C61 H48 Cl Fe O3 P2 Rh
SMILES	[Rh]1(Cl)([P](c2cccc(c2)[c]23[Fe]456789%10([c]%11([cH]7[cH]6[c]5([cH]4%11)c4ccc(OC)cc4)c4cc([P]1(c1ccccc1)c1ccccc1)ccc4)[cH]2[c]8([cH]9[cH]3%10)c1ccc(OC)cc1)(c1ccccc1)c1ccccc1)C#[O]
Title of publication	Toward autonomously operating molecular machines driven by transition-metal catalyst.
Authors of publication	Tanaka, Kenichi; Kinbara, Kazushi
Journal of publication	Molecular bioSystems
Year of publication	2008
Journal volume	4
Journal issue	6
Pages of publication	512 - 514
a	9.356 ± 0.002 Å
b	10.965 ± 0.002 Å
c	12.863 ± 0.003 Å
α	75.982 ± 0.007°
β	74.937 ± 0.007°
γ	78.025 ± 0.007°
Cell volume	1221.5 ± 0.4 Å³
Cell temperature	123.1 K
Number of distinct elements	7
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for significantly intense reflections	0.0264
Weighted residual factors for all reflections included in the refinement	0.0266
Goodness-of-fit parameter for all reflections included in the refinement	1.254
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
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.	1515999.cif
113125	2014-05-08	cif/ Adding structures of 1515999 via cif-deposit CGI script.	1515999.cif