Crystallography Open Database

Information card for entry 7018273

Preview

Coordinates	7018273.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H16 N5 O9 Rh
Calculated formula	C15 H16 N5 O9 Rh
SMILES	[Rh]12(O)([OH2])([OH2])[n]3ccccc3c3[n]1c(ccc3)c1[n]2cccc1.O=N(=O)[O-].O=N(=O)[O-]
Title of publication	Establishing the mechanism of Rh-catalysed activation of O(2) by H(2).
Authors of publication	Inoki, Daisuke; Matsumoto, Takahiro; Hayashi, Hideki; Takashita, Keisuke; Nakai, Hidetaka; Ogo, Seiji
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	15
Pages of publication	4328 - 4334
a	8.395 ± 0.003 Å
b	10.642 ± 0.003 Å
c	11.454 ± 0.003 Å
α	68.371 ± 0.007°
β	88.574 ± 0.007°
γ	87.024 ± 0.009°
Cell volume	949.9 ± 0.5 Å³
Cell temperature	223.2 K
Ambient diffraction temperature	223.2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0222
Weighted residual factors for all reflections included in the refinement	0.0634
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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.	7018273.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018273.cif
52021	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 7018273, 7018274, 7018275 via cif-deposit CGI script.	7018273.cif