Crystallography Open Database

Information card for entry 1514469

Preview

Coordinates	1514469.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C132 H136 B8 Cl28 Fe4 N32 O36 Re4
Calculated formula	C132 H136 B8 Cl28 Fe4 N32 O36 Re4
Title of publication	Clathrochelate-based bipyridyl ligands of nanoscale dimensions: easy-to-access building blocks for supramolecular chemistry
Authors of publication	Wise, Matthew D.; Ruggi, Albert; Pascu, Mirela; Scopelliti, Rosario; Severin, Kay
Journal of publication	Chemical Science
Year of publication	2013
Journal volume	4
Journal issue	4
Pages of publication	1658
a	16.163 ± 0.003 Å
b	20.152 ± 0.004 Å
c	20.252 ± 0.004 Å
α	93.07 ± 0.03°
β	90.55 ± 0.03°
γ	110.44 ± 0.03°
Cell volume	6169 ± 2 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1296
Residual factor for significantly intense reflections	0.0923
Weighted residual factors for significantly intense reflections	0.2546
Weighted residual factors for all reflections included in the refinement	0.2787
Goodness-of-fit parameter for all reflections included in the refinement	0.973
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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