Crystallography Open Database

Information card for entry 7049116

Preview

Coordinates	7049116.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H22 N4 Ni O2
Calculated formula	C32 H22 N4 Ni O2
Title of publication	Strapping a benzaldehyde-appended 2,2'-bis-dipyrrin Zn(ii) double-stranded helicate using imine bond formation.
Authors of publication	Zhang, Fan; Fluck, Audrey; Baudron, Stéphane A; Hosseini, Mir Wais
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	13
Pages of publication	4105 - 4108
a	9.7819 ± 0.0002 Å
b	11.6608 ± 0.0003 Å
c	12.9613 ± 0.0003 Å
α	110.897 ± 0.001°
β	98.893 ± 0.001°
γ	111.052 ± 0.001°
Cell volume	1219.34 ± 0.05 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0396
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0768
Weighted residual factors for all reflections included in the refinement	0.08
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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