Crystallography Open Database

Information card for entry 7045112

Preview

Structure parameters

Formula	C56 H70 As2 K2 N2 O2
Calculated formula	C56 H70 As2 K2 N2 O2
SMILES	[K](N([As](c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1ccccc1)[O]1CCCC1
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	9.7359 ± 0.0005 Å
b	10.7675 ± 0.0006 Å
c	14.0129 ± 0.0007 Å
α	67.45 ± 0.004°
β	81.984 ± 0.004°
γ	76.104 ± 0.004°
Cell volume	1315.14 ± 0.13 Å³
Cell temperature	210 K
Ambient diffraction temperature	210 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	0.0805
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.1174
Weighted residual factors for all reflections included in the refinement	0.1353
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
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.	7045112.cif
229931	2019-11-17	cif/ Updating files of 7045111, 7045112, 7045113 Original log message: Adding full bibliography for 7045111--7045113.cif.	7045112.cif
204437	2017-12-21	cif/ Adding structures of 7045111, 7045112, 7045113 via cif-deposit CGI script.	7045112.cif