Crystallography Open Database

Information card for entry 7208868

7208867 << 7208868 >> 7208869

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Coordinates	7208868.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C278 H328 N44 Ni14 O94
Calculated formula	C278 H328 N44 Ni14 O94
Title of publication	Conformational control of ligands to create a finite metal‒organic cluster and an extended metal‒organic framework
Authors of publication	Rajput, Lalit; Kim, Dongwook; Lah, Myoung Soo
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	2
Pages of publication	259
a	41.121 ± 0.008 Å
b	20.457 ± 0.004 Å
c	39.436 ± 0.008 Å
α	90°
β	106.71 ± 0.03°
γ	90°
Cell volume	31773 ± 12 Å³
Cell temperature	96 ± 2 K
Ambient diffraction temperature	96 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0803
Residual factor for significantly intense reflections	0.0643
Weighted residual factors for significantly intense reflections	0.1933
Weighted residual factors for all reflections included in the refinement	0.2031
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation wavelength	0.8 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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