Crystallography Open Database

Information card for entry 7217023

Preview

Coordinates	7217023.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H39 N4 Ni O8.5 P2 S4
Calculated formula	C38 H39 N4 Ni O8.5 P2 S4
Title of publication	Stereospecific generation of homochiral helices in coordination polymers built from enantiopure binaphthyl-based ligands
Authors of publication	Crespo Alonso, M.; Arca, M.; Isaia, F.; Lai, R.; Lippolis, V.; Callear, S. K.; Caricato, M.; Pasini, D.; Coles, S. J.; Aragoni, M. C.
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	36
Pages of publication	8582
a	9.6133 ± 0.0002 Å
b	45.6542 ± 0.0012 Å
c	10.5801 ± 0.0003 Å
α	90°
β	113.202 ± 0.001°
γ	90°
Cell volume	4267.92 ± 0.19 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0894
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.1199
Weighted residual factors for all reflections included in the refinement	0.1325
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7217023.cif
123398	2014-09-08	cif/ Updating files of 7217023, 7217024 Original log message: Adding full bibliography for 7217023--7217024.cif.	7217023.cif
119004	2014-07-05	cif/ Adding structures of 7217023, 7217024 via cif-deposit CGI script.	7217023.cif