Crystallography Open Database

Information card for entry 7238832

Preview

Coordinates	7238832.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H13 Cl N6 Na4 O14
Calculated formula	C15 H13 Cl N6 Na4 O14
SMILES	[Na+].[Cl-].[Na+].[Na+].OC([O-])CN(CC(=O)[O-])c1nc(nc(n1)N(CC(=O)O)CC(=O)[O-])N(CC(=O)[O-])CC([O-])=O.O.[Na+].O
Title of publication	Extending the supramolecular synthon concept in flexible polyaminocarboxylate based coordination polymers
Authors of publication	Goswami, Pramod Kumar; Singh, Monika; Thaimattam, Ram; Ramanan, Arunachalam
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	45
Pages of publication	9787
a	10.559 ± 0.003 Å
b	10.857 ± 0.003 Å
c	11.426 ± 0.003 Å
α	108.323 ± 0.004°
β	108.209 ± 0.004°
γ	93.566 ± 0.004°
Cell volume	1162.3 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.1
Residual factor for significantly intense reflections	0.093
Weighted residual factors for significantly intense reflections	0.2139
Weighted residual factors for all reflections included in the refinement	0.2179
Goodness-of-fit parameter for all reflections included in the refinement	1.215
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
244398 (current)	2019-11-28	cif/ Adding structures of 7238831, 7238832, 7238833, 7238834, 7238835, 7238836 via cif-deposit CGI script.	7238832.cif