Crystallography Open Database

Information card for entry 7001855

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Structure parameters

Formula	C18 H24 N4 O3
Calculated formula	C18 H24 N4 O3
SMILES	n1(nc(cc1C)C)C(n1nc(C)cc1C)c1ccc(O)c(OC)c1.O
Title of publication	Self assembly of silver(i) coordination polymers formed through hydrogen bonding with a new ditopic heteroscorpionate ligand
Authors of publication	Santillan, Guillermo A.; Carrano, Carl J.
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	33
Pages of publication	6599 - 6605
a	7.8522 ± 0.0002 Å
b	9.8917 ± 0.0002 Å
c	12.2509 ± 0.0003 Å
α	80.338 ± 0.001°
β	77.77 ± 0.001°
γ	88.918 ± 0.001°
Cell volume	916.62 ± 0.04 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0886
Residual factor for significantly intense reflections	0.0637
Weighted residual factors for significantly intense reflections	0.1945
Weighted residual factors for all reflections included in the refinement	0.2163
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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