Crystallography Open Database

Information card for entry 4346781

Preview

Coordinates	4346781.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H31 Cl N7 P
Calculated formula	C24 H31 Cl N7 P
SMILES	P123[N+](CCN3Cc3ncccc3)(CCN1Cc1ccccn1)CCN2Cc1ncccc1.[Cl-]
Title of publication	Flexibility is Key: Synthesis of a Tripyridylamine (TPA) Congener with a Phosphorus Apical Donor and Coordination to Cobalt(II).
Authors of publication	Thammavongsy, Zachary; Khosrowabadi Kotyk, Juliet F.; Tsay, Charlene; Yang, Jenny Y.
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	23
Pages of publication	11505 - 11510
a	26.255 ± 0.0013 Å
b	38.811 ± 0.003 Å
c	9.1778 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	9352 ± 1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0414
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.1039
Weighted residual factors for all reflections included in the refinement	0.1069
Goodness-of-fit parameter for all reflections included in the refinement	0.841
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
231979 (current)	2019-11-23	cif/ Adding structures of 4346781 via cif-deposit CGI script.	4346781.cif