Crystallography Open Database

Information card for entry 7701453

Preview

Coordinates	7701453.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C104 H166 Cd8 Ge16 N24 O123 V24
Calculated formula	C104 H80 Cd8 Ge16 N24 O123 V24
Title of publication	Two novel 3D borates: porous-layer and layer-pillar frameworks.
Authors of publication	Qin, Dan; Zhang, Tian-Jiao; Ma, Cheng-Bing; Yang, Guo-Yu
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	12
Pages of publication	3824 - 3829
a	14.5034 ± 0.0008 Å
b	16.592 ± 0.0009 Å
c	23.044 ± 0.0013 Å
α	71.648 ± 0.004°
β	84.13 ± 0.004°
γ	75.454 ± 0.004°
Cell volume	5093 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0751
Residual factor for significantly intense reflections	0.0623
Weighted residual factors for significantly intense reflections	0.1545
Weighted residual factors for all reflections included in the refinement	0.1669
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
250321 (current)	2020-04-05	cif/ Updating files of 7701453, 7701454, 7701455 Original log message: Adding full bibliography for 7701453--7701455.cif.	7701453.cif
220527	2019-10-30	cif/ Adding structures of 7701453, 7701454, 7701455 via cif-deposit CGI script.	7701453.cif