Crystallography Open Database

Information card for entry 7008532

Preview

Coordinates	7008532.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H41 B N3 O Rh S3
Calculated formula	C47 H41 B N3 O Rh S3
SMILES	[Rh]12345([n]6c7Sc8[n]2c(Sc2[n]1c(Sc6ccc7)ccc2)ccc8)[C@@H]1[C@H](O)C[CH]3=[CH]4C5CC1.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Selective oxygenation of amphiphilic thiacalix[3]pyridine Rh(I) diene complexes in both water and organic solvents.
Authors of publication	Nishioka, Takanori; Onishi, Yusuke; Nakajo, Kunio; Guo-Xin, Jin; Tanaka, Rika; Kinoshita, Isamu
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2005
Journal issue	12
Pages of publication	2130 - 2137
a	9.569 ± 0.001 Å
b	32.467 ± 0.005 Å
c	12.727 ± 0.002 Å
α	90°
β	96.504 ± 0.006°
γ	90°
Cell volume	3928.5 ± 1 Å³
Cell temperature	193.2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for significantly intense reflections	0.076
Weighted residual factors for all reflections included in the refinement	0.1853
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7008532.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7008532.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7008532.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7008532.cif