Crystallography Open Database

Information card for entry 1557846

Preview

Coordinates	1557846.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H72 N2 Na2 O4 Si12
Calculated formula	C24 H72 N2 Na2 O4 Si12
SMILES	[Si]1([Si]([N]23[Si]([Si]([O]4[Si]([Si]([O]1[Na]24[N]12[Si]([Si]([O]4[Si]([Si]([O]([Si]([Si]1(C)C)(C)C)[Na]324)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C
Title of publication	Coordination polymers of alkali metal cyclosiloxazanides with one- and two-dimensional structures.
Authors of publication	Jost, Maximilian; Richter, Roman-Malte; Balmer, Markus; Peters, Bertram; Dankert, Fabian; von Hänisch, Carsten
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	18
Pages of publication	5787 - 5790
a	10.2536 ± 0.0005 Å
b	12.3598 ± 0.0005 Å
c	18.9999 ± 0.0008 Å
α	90°
β	92.488 ± 0.002°
γ	90°
Cell volume	2405.63 ± 0.18 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0391
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for significantly intense reflections	0.0781
Weighted residual factors for all reflections included in the refinement	0.0811
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation probe	x-ray
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
252808 (current)	2020-06-05	cif/ Updating files of 1557842, 1557843, 1557844, 1557845, 1557846 Original log message: Adding full bibliography for 1557842--1557846.cif.	1557846.cif
251000	2020-04-22	cif/ Adding structures of 1557842, 1557843, 1557844, 1557845, 1557846 via cif-deposit CGI script.	1557846.cif