Crystallography Open Database

Information card for entry 7711032

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Coordinates	7711032.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31.5 H26 Cl N3 O3 Pd
Calculated formula	C31.5 H26 Cl N3 O3 Pd
SMILES	[Pd]123[n]4c(cccc4N(c4[n]1c(ccc4)c1ccc(OC)cc21)c1ccc(OC)cc1)c1c3cc(OC)cc1.C(Cl)Cl
Title of publication	Room-temperature luminescence from Pd(ii) and Pt(ii) complexes: from mechanochromic crystals to flexible polymer matrices
Authors of publication	Gutierrez Suburu, Matias E.; Maisuls, Iván; Kösters, Jutta; Strassert, Cristian A.
Journal of publication	Dalton Transactions
Year of publication	2022
a	13.3761 ± 0.0006 Å
b	14.5201 ± 0.0007 Å
c	14.6042 ± 0.0007 Å
α	107.619 ± 0.001°
β	104.456 ± 0.001°
γ	92.1 ± 0.001°
Cell volume	2598.4 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0284
Residual factor for significantly intense reflections	0.0254
Weighted residual factors for significantly intense reflections	0.0645
Weighted residual factors for all reflections included in the refinement	0.0661
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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