Crystallography Open Database

Information card for entry 4077964

Preview

Coordinates	4077964.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H60 F6 N3 O9 P Pt S2
Calculated formula	C48 H60.858 F6 N3 O9.429 P Pt S2
Title of publication	Coordination Chemistry of a Bicyclic 3-Aza-7-phosphabicyclo[3.3.1]nonan-9-one Ligand
Authors of publication	Zayya, Almas I.; Spencer, John L.
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	7
Pages of publication	2841
a	13.313 ± 0.0004 Å
b	14.9607 ± 0.0005 Å
c	16.1929 ± 0.0005 Å
α	91.528 ± 0.002°
β	97.27 ± 0.002°
γ	114.749 ± 0.002°
Cell volume	2894.02 ± 0.17 Å³
Cell temperature	119 ± 2 K
Ambient diffraction temperature	119 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0425
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for significantly intense reflections	0.0802
Weighted residual factors for all reflections included in the refinement	0.0843
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
178668 (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 4/07/79.	4077964.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4077964.cif
57646	2012-05-18	cif/ Adding structures of 4077964 via cif-deposit CGI script.	4077964.cif