Crystallography Open Database

Information card for entry 4077965

Preview

Coordinates	4077965.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H44 N3 O5 P Pt
Calculated formula	C32 H44 N3 O6 P Pt
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	15.3563 ± 0.0014 Å
b	16.5728 ± 0.0013 Å
c	27.816 ± 0.002 Å
α	90°
β	105.768 ± 0.004°
γ	90°
Cell volume	6812.7 ± 1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0693
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.1023
Weighted residual factors for all reflections included in the refinement	0.1183
Goodness-of-fit parameter for all reflections included in the refinement	1.128
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
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.	4077965.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4077965.cif
57647	2012-05-18	cif/ Adding structures of 4077965 via cif-deposit CGI script.	4077965.cif