Crystallography Open Database

Information card for entry 7122146

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Coordinates	7122146.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C75 H87 B6 Fe3 N21 O18
Calculated formula	C75 H87 B6 Fe3 N21 O18
Title of publication	Inflating face-capped Pd<sub>6</sub>L<sub>8</sub> coordination cages.
Authors of publication	Jansze, Suzanne M.; Ortiz, Daniel; Fadaei Tirani, Farzaneh; Scopelliti, Rosario; Menin, Laure; Severin, Kay
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	68
Pages of publication	9529 - 9532
a	35.551 ± 0.003 Å
b	9.273 ± 0.0006 Å
c	29.6345 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	9769.4 ± 1.2 Å³
Cell temperature	140 ± 0.1 K
Ambient diffraction temperature	140 ± 0.1 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.1673
Residual factor for significantly intense reflections	0.1235
Weighted residual factors for significantly intense reflections	0.317
Weighted residual factors for all reflections included in the refinement	0.3566
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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