Crystallography Open Database

Information card for entry 7122780

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Structure parameters

Formula	C22 H20 N2 O7
Calculated formula	C22 H20 N2 O7
Title of publication	A Twisted Macrocyclic Hexanuclear Palladium Complex with Internal Bulky Coordinating Ligands
Authors of publication	Nagai, Akira; Nakamura, Takashi; Nabeshima, Tatsuya
Journal of publication	Chemical Communications
Year of publication	2019
a	18.621 ± 0.003 Å
b	13.302 ± 0.002 Å
c	8.051 ± 0.0014 Å
α	90°
β	91.291 ± 0.008°
γ	90°
Cell volume	1993.7 ± 0.6 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1264
Residual factor for significantly intense reflections	0.0836
Weighted residual factors for significantly intense reflections	0.209
Weighted residual factors for all reflections included in the refinement	0.2333
Goodness-of-fit parameter for all reflections included in the refinement	1.273
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301860 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure.	7122780.cif
212900	2019-01-11	cif/ Adding structures of 7122780 via cif-deposit CGI script.	7122780.cif