Crystallography Open Database

Information card for entry 7223332

Preview

Coordinates	7223332.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H68 Cu2 N6 O18 P2
Calculated formula	C54 H48 Cu2 N6 O14 P2
Title of publication	Solvent-mediated supramolecular templated assembly of a metal organophosphonate via a crystal‒amorphous‒crystal transformation
Authors of publication	Narang, Shikha; Singh, Udai P.; Venugopalan, P.
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	1
Pages of publication	54
a	11.3974 ± 0.0012 Å
b	11.5337 ± 0.0012 Å
c	12.5848 ± 0.0013 Å
α	117.067 ± 0.004°
β	101.07 ± 0.004°
γ	101.147 ± 0.004°
Cell volume	1369.1 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0654
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for significantly intense reflections	0.1566
Weighted residual factors for all reflections included in the refinement	0.161
Goodness-of-fit parameter for all reflections included in the refinement	1.147
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7223332.html