Crystallography Open Database

Information card for entry 4321390

Preview

Coordinates	4321390.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H39 N4 Nd O13 P2
Calculated formula	C38 H39 N4 Nd O13 P2
Title of publication	Synthesis, Characterization, and Coordination Chemistry of a New Geometrically Hindered Trifunctional Ligand, 4,5-Bis(diphenylphosphino)-sym-octahydroacridine N,P,P'-Trioxide
Authors of publication	Gan, Xin-Min; Parveen, Sahrah; Smith, Wayne L.; Duesler, Eileen N.; Paine, Robert T.
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Journal issue	20
Pages of publication	4591 - 4598
a	13.131 ± 0.002 Å
b	17.579 ± 0.008 Å
c	17.853 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	4121 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0853
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.075
Weighted residual factors for all reflections included in the refinement	0.0917
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
209507 (current)	2018-08-09	cif/4/32/13/ Updating bibliography in entries 4321387, 4321388, 4321389, 4321390.	4321390.cif
179316	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/13.	4321390.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321390.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321390.cif
18760	2011-05-04	../uploads/cif-deposit/cod/cif Adding structures of 4321390 via cif-deposit CGI script.	4321390.cif