Crystallography Open Database

Information card for entry 7044823

Preview

Coordinates	7044823.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	cluster-1
Formula	C87 H124 Br4 N8 O75.5 Sm8 Zn6
Calculated formula	C87 H124 Br4 N8 O75.5 Sm8 Zn6
Title of publication	Construction of luminescent high-nuclearity Zn-Ln rectangular nanoclusters with flexible long-chain Schiff base ligands.
Authors of publication	Wang, Shiqing; Yang, Xiaoping; Zhu, Ting; Bo, Le; Wang, Ruihu; Huang, Shaoming; Wang, Chengri; Jiang, Dongmei; Chen, Hongfen; Jones, Richard A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	47
Journal issue	1
Pages of publication	53 - 57
a	14.4478 ± 0.0011 Å
b	14.9363 ± 0.0012 Å
c	20.1881 ± 0.0015 Å
α	69.789 ± 0.001°
β	76.115 ± 0.001°
γ	89.193 ± 0.001°
Cell volume	3957.5 ± 0.5 Å³
Cell temperature	190 ± 1 K
Ambient diffraction temperature	190 ± 1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0779
Residual factor for significantly intense reflections	0.0507
Weighted residual factors for significantly intense reflections	0.1538
Weighted residual factors for all reflections included in the refinement	0.2141
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
229393 (current)	2019-11-17	cif/ Updating files of 7044823, 7044824, 7044825 Original log message: Adding full bibliography for 7044823--7044825.cif.	7044823.cif
203406	2017-11-21	cif/ Adding structures of 7044823, 7044824, 7044825 via cif-deposit CGI script.	7044823.cif