Crystallography Open Database

Information card for entry 4308421

Preview

Coordinates	4308421.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H44 Cl2 N6 Ni O10
Calculated formula	C50 H44 Cl2 N6 Ni O10
Title of publication	Novel Chiral "Calixsalen" Macrocycle and Chiral Robson-type Macrocyclic Complexes
Authors of publication	Gao, Jian; Reibenspies, Joseph H.; Zingaro, Ralph A.; Woolley, F. Ross; Martell, Arthur E.; Clearfield, Abraham
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Journal issue	2
Pages of publication	232 - 241
a	9.522 ± 0.012 Å
b	16.6 ± 0.02 Å
c	14.844 ± 0.018 Å
α	90°
β	100.16 ± 0.02°
γ	90°
Cell volume	2310 ± 5 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0888
Residual factor for significantly intense reflections	0.0662
Weighted residual factors for significantly intense reflections	0.1482
Weighted residual factors for all reflections included in the refinement	0.1566
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4308421.html