Crystallography Open Database

Information card for entry 7121182

Preview

Coordinates	7121182.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H30 N3 O P
Calculated formula	C24 H30 N3 O P
SMILES	P(=O)(N[C@@H](C)c1ccccc1)(N[C@@H](C)c1ccccc1)N[C@@H](C)c1ccccc1
Title of publication	Imido-P(v) trianion supported enantiopure neutral tetrahedral Pd(ii) cages.
Authors of publication	Rajasekar, Prabhakaran; Pandey, Swechchha; Paithankar, Harshad; Chugh, Jeetender; Steiner, Alexander; Boomishankar, Ramamoorthy
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	15
Pages of publication	1873 - 1876
a	12.209 ± 0.003 Å
b	12.209 ± 0.003 Å
c	12.997 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	1677.8 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	145
Hermann-Mauguin space group symbol	P 32
Hall space group symbol	P 32
Residual factor for all reflections	0.1376
Residual factor for significantly intense reflections	0.0655
Weighted residual factors for significantly intense reflections	0.1494
Weighted residual factors for all reflections included in the refinement	0.1966
Goodness-of-fit parameter for all reflections included in the refinement	0.826
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
228431 (current)	2019-11-17	cif/ Updating files of 7121182, 7121183, 7121184, 7121185 Original log message: Adding full bibliography for 7121182--7121185.cif.	7121182.cif
205612	2018-01-25	cif/ Adding structures of 7121182, 7121183, 7121184, 7121185 via cif-deposit CGI script.	7121182.cif