Crystallography Open Database

Information card for entry 1573096

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Coordinates	1573096.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H52 Er N5 O
Calculated formula	C39 H52 Er N5 O
Title of publication	Rare-earth metal complexes bearing electrophilic and nucleophilic carbon centres and their unique reactivity patterns towards pyridine derivatives
Authors of publication	Wu, weikang; Rajeshkumar, Thayalan; Zhu, Shan; Chai, Fuxiang; Hong, Dongjing; Huang, ZeMing; Yuan, Qingbing; Maron, Laurent; Wang, Shaowu
Journal of publication	Chemical Science
Year of publication	2024
a	13.6472 ± 0.0007 Å
b	20.2383 ± 0.001 Å
c	26.8628 ± 0.0014 Å
α	90°
β	91.34 ± 0.001°
γ	90°
Cell volume	7417.4 ± 0.7 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0878
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.0888
Weighted residual factors for all reflections included in the refinement	0.1015
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
295890 (current)	2024-11-13	cif/ Adding structures of 1573095, 1573096, 1573097, 1573098, 1573099, 1573100, 1573101, 1573102, 1573103, 1573104, 1573105, 1573106, 1573107, 1573108, 1573109, 1573110, 1573111, 1573112, 1573113, 1573114, 1573115, 1573116, 1573117, 1573118, 1573119, 1573120, 1573121, 1573122, 1573123 via cif-deposit CGI script.	1573096.cif