Crystallography Open Database

Information card for entry 1513850

Preview

Coordinates	1513850.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C120 H126 F24 N6 O4 P10 Rh2
Calculated formula	C120 H126 F23.996 N6 O4 P10 Rh2
Title of publication	Cation‒cation bonding in nitrenium metal complexes
Authors of publication	Tulchinsky, Yuri; Kozuch, Sebastian; Saha, Prasenjit; Botoshansky, Mark; Shimon, Linda J. W.; Gandelman, Mark
Journal of publication	Chemical Science
Year of publication	2014
Journal volume	5
Journal issue	4
Pages of publication	1305
a	15.7239 ± 0.0007 Å
b	17.5295 ± 0.0008 Å
c	23.5911 ± 0.001 Å
α	90°
β	106.188 ± 0.002°
γ	90°
Cell volume	6244.7 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1031
Residual factor for significantly intense reflections	0.0693
Weighted residual factors for significantly intense reflections	0.1739
Weighted residual factors for all reflections included in the refinement	0.1936
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1513850.cif
107088	2014-03-17	cif/ Adding structures of 1513846, 1513847, 1513848, 1513849, 1513850 via cif-deposit CGI script.	1513850.cif