Crystallography Open Database

Information card for entry 7101590

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Coordinates	7101590.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H32 N2 O5 Pd
Calculated formula	C27 H32 N2 O5 Pd
Title of publication	Supramolecular metallomesogens. Self-organization of an H-bonded tetrameric assembly into columnar phase from single component
Authors of publication	Wang, Yueh-Ju; Song, Jian-Hong; Lin, Yu-Siang; Lin, Ching; Sheu, Hwo-Shuenn; Lee, Gene-Hsiang; Lai, Chung K.
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2006
Journal issue	47
Pages of publication	4912 - 4914
a	26.5422 ± 0.0011 Å
b	26.5422 ± 0.0011 Å
c	7.1719 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	5052.5 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	86
Hermann-Mauguin space group symbol	P 42/n :2
Hall space group symbol	-P 4bc
Residual factor for all reflections	0.1254
Residual factor for significantly intense reflections	0.0477
Weighted residual factors for significantly intense reflections	0.1268
Weighted residual factors for all reflections included in the refinement	0.1657
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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