Crystallography Open Database

Information card for entry 4070750

Preview

Coordinates	4070750.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H48 Cl5 Ir N2 O4 P2
Calculated formula	C55 H48 Cl5 Ir N2 O4 P2
Title of publication	Synthesis, Structure, and Reactivity of Aliphatic Primary Nitrosamines Stabilized by Coordination to [IrCl5]2−
Authors of publication	Di Salvo, Florencia; Estrin, Darío A.; Leitus, Gregory; Doctorovich, Fabio
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	9
Pages of publication	1985
a	14.039 ± 0.003 Å
b	14.109 ± 0.003 Å
c	16.251 ± 0.003 Å
α	87.69 ± 0.03°
β	65.47 ± 0.03°
γ	66 ± 0.03°
Cell volume	2643 ± 1.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0619
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.1117
Weighted residual factors for all reflections included in the refinement	0.1153
Goodness-of-fit parameter for all reflections included in the refinement	1.242
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
178596 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/07.	4070750.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070750.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070750.cif
42674	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070750 via cif-deposit CGI script.	4070750.cif