Crystallography Open Database

Information card for entry 7049113

Preview

Coordinates	7049113.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H40 N8 O4 Zn2
Calculated formula	C64 H40 N8 O4 Zn2
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	11.9527 ± 0.0003 Å
b	11.9527 ± 0.0003 Å
c	17.7035 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	2529.25 ± 0.13 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	118
Hermann-Mauguin space group symbol	P -4 n 2
Hall space group symbol	P -4 -2n
Residual factor for all reflections	0.0809
Residual factor for significantly intense reflections	0.0532
Weighted residual factors for significantly intense reflections	0.1285
Weighted residual factors for all reflections included in the refinement	0.1443
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
224281 (current)	2019-11-08	cif/ Updating files of 7049113, 7049114, 7049115, 7049116 Original log message: Adding full bibliography for 7049113--7049116.cif.	7049113.cif
213779	2019-02-22	cif/ Adding structures of 7049113, 7049114, 7049115, 7049116 via cif-deposit CGI script.	7049113.cif