Crystallography Open Database

Information card for entry 4339168

Preview

Coordinates	4339168.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27.5 H30 Cl N3 O3 P
Calculated formula	C27.5 H30 Cl N3 O3 P
Title of publication	Development of a series of P(CH(2)N=CHR)(3) and trisubstituted 1,3,5-Triaza-7-phosphaadamantane ligands.
Authors of publication	Huang, Rongcai; Frost, Brian J.
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	26
Pages of publication	10962 - 10964
a	7.0594 ± 0.0003 Å
b	10.9914 ± 0.0005 Å
c	17.0315 ± 0.0007 Å
α	76.065 ± 0.001°
β	86.217 ± 0.001°
γ	74.073 ± 0.001°
Cell volume	1233.39 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0701
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.1024
Weighted residual factors for all reflections included in the refinement	0.1218
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4339168.cif
117175	2014-06-14	cif/ Adding structures of 4339168 via cif-deposit CGI script.	4339168.cif