Crystallography Open Database

Information card for entry 7045111

Preview

Structure parameters

Formula	C56 H74 As2 N2 Na2 O2
Calculated formula	C56 H74 As2 N2 Na2 O2
SMILES	N([As](c1c(cc(C)cc1C)C)c1c(cc(C)cc1C)C)(c1ccccc1)[Na][O](CC)CC
Title of publication	Synthesis and structural characterization of alkali metal arsinoamides.
Authors of publication	Chen, Xiao; Gamer, Michael T.; Roesky, Peter W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	36
Pages of publication	12521 - 12525
a	10.402 ± 0.0006 Å
b	10.5518 ± 0.0006 Å
c	13.2663 ± 0.0008 Å
α	82.314 ± 0.005°
β	75.737 ± 0.005°
γ	69.727 ± 0.004°
Cell volume	1321.92 ± 0.14 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 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	0.0841
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.1098
Weighted residual factors for all reflections included in the refinement	0.1249
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301850 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure.	7045111.cif
229931	2019-11-17	cif/ Updating files of 7045111, 7045112, 7045113 Original log message: Adding full bibliography for 7045111--7045113.cif.	7045111.cif
204437	2017-12-21	cif/ Adding structures of 7045111, 7045112, 7045113 via cif-deposit CGI script.	7045111.cif