Crystallography Open Database

Information card for entry 1513848

Preview

Coordinates	1513848.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Gandelman-155 (Saha)
Formula	C48 H64 F12 N3 O3.5 P4 Rh
Calculated formula	C48 H64 F12 N3 O3.5 P4 Rh
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	13.854 ± 0.002 Å
b	22.376 ± 0.003 Å
c	19.553 ± 0.003 Å
α	90°
β	109.609 ± 0.004°
γ	90°
Cell volume	5709.8 ± 1.4 Å³
Cell temperature	240 ± 2 K
Ambient diffraction temperature	240 ± 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	0.1002
Residual factor for significantly intense reflections	0.0729
Weighted residual factors for significantly intense reflections	0.22
Weighted residual factors for all reflections included in the refinement	0.2551
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.71073 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.	1513848.cif
107088	2014-03-17	cif/ Adding structures of 1513846, 1513847, 1513848, 1513849, 1513850 via cif-deposit CGI script.	1513848.cif