Crystallography Open Database

Information card for entry 7059451

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Coordinates	7059451.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H48 F12 N8 O12 Pd2 S4 Se4
Calculated formula	C36 H48 F12 N8 O12 Pd2 S4 Se4
Title of publication	Synthesis and anti-proliferative activities of amine capped Pd and Pt macrocycles of 4,4′-dipyridylselenides
Authors of publication	Chaudhari, K. R.; Kunwar, A.; Bhuvanesh, N.; Dey, S.
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	18
Pages of publication	7329 - 7337
a	12.0288 ± 0.0006 Å
b	18.0203 ± 0.001 Å
c	15.7595 ± 0.0008 Å
α	90°
β	111.499 ± 0.002°
γ	90°
Cell volume	3178.4 ± 0.3 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	8
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	0.0564
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.0747
Weighted residual factors for all reflections included in the refinement	0.0808
Goodness-of-fit parameter for all reflections included in the refinement	1.125
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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