Crystallography Open Database

Information card for entry 7205815

7205814 << 7205815 >> 7205816

Preview

Coordinates	7205815.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C110 H139 Br12 N13 Ni6 O38
Calculated formula	C110 H139 Br12 N13 Ni6 O38
Title of publication	Nuclearity growth towards Ni(ii) cubane in self-assembly with 2-hydroxymethyl pyridine (hmpH) and 5-ethoxycarbonyl-2-hydroxymethyl pyridine (5-ehmpH)
Authors of publication	Zhang, Wen-Hua; Sulaiman, Norlela Binte; Tio, P. X. Shaun; Hor, T. S. Andy
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	8
Pages of publication	2915
a	13.7506 ± 0.0005 Å
b	22.6852 ± 0.0008 Å
c	25.2982 ± 0.0008 Å
α	110.525 ± 0.001°
β	93.087 ± 0.001°
γ	105.933 ± 0.001°
Cell volume	7007.1 ± 0.4 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1121
Residual factor for significantly intense reflections	0.0693
Weighted residual factors for significantly intense reflections	0.1866
Weighted residual factors for all reflections included in the refinement	0.2088
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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/7205815.html