Crystallography Open Database

Information card for entry 1554045

Preview

Coordinates	1554045.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H11 Co N9
Calculated formula	C14 H11 Co N9
Title of publication	On the Importance of Noncovalent Carbon-Bonding Interactions in the Stabilization of a 1D Co(II) Polymeric Chain as a Precursor of a Novel 2D Coordination Polymer.
Authors of publication	Pal, Pampi; Konar, Saugata; Lama, Prem; Das, Kinsuk; Bauzá, Antonio; Frontera, Antonio; Mukhopadhyay, Subrata
Journal of publication	The journal of physical chemistry. B
Year of publication	2016
Journal volume	120
Journal issue	27
Pages of publication	6803 - 6811
a	13.9366 ± 0.001 Å
b	8.8995 ± 0.0006 Å
c	14.6385 ± 0.001 Å
α	90°
β	117.76 ± 0.002°
γ	90°
Cell volume	1606.63 ± 0.19 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0514
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.1495
Weighted residual factors for all reflections included in the refinement	0.1565
Goodness-of-fit parameter for all reflections included in the refinement	1.277
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
236487 (current)	2019-11-24	cif/ Adding structures of 1554045 via cif-deposit CGI script.	1554045.cif