Crystallography Open Database

Information card for entry 7111384

Preview

Coordinates	7111384.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H934 Mo132 N77 O844 Pr7 S30
Calculated formula	C20 Mo132 N40.2 O799 Pr4.082 S30
Title of publication	En route to coordination chemistry under confined conditions in a porous capsule: Pr3+ with different coordination shells
Authors of publication	Müller, Achim; Zhou, Yunshan; Zhang, Lijuan; Bögge, Hartmut; Schmidtmann, Marc; Dressel, Martin; van Slageren, Joris
Journal of publication	Chemical Communications
Year of publication	2004
Journal issue	18
Pages of publication	2038 - 2039
a	32.8976 ± 0.0008 Å
b	32.8976 ± 0.0008 Å
c	74.076 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	69428 ± 4 Å³
Cell temperature	188 ± 2 K
Ambient diffraction temperature	188 ± 2 K
Number of distinct elements	7
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0643
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.1328
Weighted residual factors for all reflections included in the refinement	0.1537
Goodness-of-fit parameter for all reflections included in the refinement	1.115
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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