Crystallography Open Database

Information card for entry 7243695

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Coordinates	7243695.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H40 Cu2 N8 O16 Pd2
Calculated formula	C50 H40 Cu2 N8 O16 Pd2
Title of publication	Crystalline Cu(ii) metal–organic frameworks based on a carboxamide pincer ligand and an NCONCON–Pd(ii) pincer complex
Authors of publication	Malaza, Siphelele S. P.; Mehlana, Gift; Cheung, Ocean; Hunter, Roger; Makhubela, Banothile C. E.
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	42
Pages of publication	7418 - 7424
a	19.6662 ± 0.0002 Å
b	20.9151 ± 0.0001 Å
c	18.3648 ± 0.0002 Å
α	90°
β	117.44 ± 0.002°
γ	90°
Cell volume	6703.97 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0478
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.1209
Weighted residual factors for all reflections included in the refinement	0.1216
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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